benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine

C165H197Br2N31O32S5 — CID 159440667

About benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine

benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine (PubChem CID 159440667) has the molecular formula C165H197Br2N31O32S5 and a molecular weight of 3446.72 g/mol. Its IUPAC name is benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine.

Molecular Properties

• Compound Name: benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine
• PubChem CID: 159440667
• Molecular Formula: C165H197Br2N31O32S5
• Molecular Weight: 3446.72 g/mol
• Exact Mass: 3442.17
• IUPAC Name: benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine
• SMILES: C.C.C.C.C.C.CC(C)N.CCO.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)CC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)OCc2ccccc2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.Cc1c(-n2nccn2)sc2[nH]c(=O)n(C(C)(C)C(=O)OCc3ccccc3)c(=O)c12.Cc1c(-n2nccn2)sc2c1c(=O)n(C(C)(C)C(=O)OCc1ccccc1)c(=O)n2C[C@H](OCCC#N)c1ccccc1Br.N#CCCO[C@@H](CO)c1ccccc1Br.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C33H34N6O5S.C31H29BrN6O5S.C30H36N6O4S.C26H28N6O5S.C20H19N5O4S.C11H12BrNO2.C3H9N.C2H6O.3CO2.6CH4/c1-5-24-14-9-10-15-25(24)26(43-19-11-16-34)20-37-30-27(22(2)29(45-30)39-35-17-18-36-39)28(40)38(32(37)42)33(3,4)31(41)44-21-23-12-7-6-8-13-23;1-20-25-26(39)37(31(2,3)29(40)43-19-21-10-5-4-6-11-21)30(41)36(28(25)44-27(20)38-34-15-16-35-38)18-24(42-17-9-14-33)22-12-7-8-13-23(22)32;1-7-21-11-8-9-12-22(21)23(40-16-10-13-31)18-34-28-25(20(4)27(41-28)36-32-14-15-33-36)26(38)35(29(34)39)30(5,6)24(37)17-19(2)3;1-5-17-9-6-7-10-18(17)19(37-14-8-11-27)15-30-23-20(16(2)22(38-23)32-28-12-13-29-32)21(33)31(25(30)36)26(3,4)24(34)35;1-12-14-15(30-17(12)25-21-9-10-22-25)23-19(28)24(16(14)26)20(2,3)18(27)29-11-13-7-5-4-6-8-13;12-10-5-2-1-4-9(10)11(8-14)15-7-3-6-13;1-3(2)4;1-2-3;3*2-1-3;;;;;;/h6-10,12-15,17-18,26H,5,11,19-21H2,1-4H3;4-8,10-13,15-16,24H,9,17-19H2,1-3H3;8-9,11-12,14-15,19,23H,7,10,16-18H2,1-6H3;6-7,9-10,12-13,19H,5,8,14-15H2,1-4H3,(H,34,35);4-10H,11H2,1-3H3,(H,23,28);1-2,4-5,11,14H,3,7-8H2;3H,4H2,1-2H3;3H,2H2,1H3;;;;6*1H4/t26-;24-;23-;19-;;11-;;;;;;;;;;;/m0000.0.........../s1
• InChIKey: LSDAHVCNGGKTLV-ITTUEZPXSA-N
• XLogP: 24.67
• TPSA: 851.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 66
• Rotatable Bonds: 55
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3446.72
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine?

The IUPAC name of benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine (CID 159440667) is benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine.

What is the SMILES notation for benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine?

The canonical SMILES for benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine is C.C.C.C.C.C.CC(C)N.CCO.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)CC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.CCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)OCc2ccccc2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N.Cc1c(-n2nccn2)sc2[nH]c(=O)n(C(C)(C)C(=O)OCc3ccccc3)c(=O)c12.Cc1c(-n2nccn2)sc2c1c(=O)n(C(C)(C)C(=O)OCc1ccccc1)c(=O)n2C[C@H](OCCC#N)c1ccccc1Br.N#CCCO[C@@H](CO)c1ccccc1Br.O=C=O.O=C=O.O=C=O.

What is the InChIKey of benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine?

The InChIKey is LSDAHVCNGGKTLV-ITTUEZPXSA-N. The full InChI is InChI=1S/C33H34N6O5S.C31H29BrN6O5S.C30H36N6O4S.C26H28N6O5S.C20H19N5O4S.C11H12BrNO2.C3H9N.C2H6O.3CO2.6CH4/c1-5-24-14-9-10-15-25(24)26(43-19-11-16-34)20-37-30-27(22(2)29(45-30)39-35-17-18-36-39)28(40)38(32(37)42)33(3,4)31(41)44-21-23-12-7-6-8-13-23;1-20-25-26(39)37(31(2,3)29(40)43-19-21-10-5-4-6-11-21)30(41)36(28(25)44-27(20)38-34-15-16-35-38)18-24(42-17-9-14-33)22-12-7-8-13-23(22)32;1-7-21-11-8-9-12-22(21)23(40-16-10-13-31)18-34-28-25(20(4)27(41-28)36-32-14-15-33-36)26(38)35(29(34)39)30(5,6)24(37)17-19(2)3;1-5-17-9-6-7-10-18(17)19(37-14-8-11-27)15-30-23-20(16(2)22(38-23)32-28-12-13-29-32)21(33)31(25(30)36)26(3,4)24(34)35;1-12-14-15(30-17(12)25-21-9-10-22-25)23-19(28)24(16(14)26)20(2,3)18(27)29-11-13-7-5-4-6-8-13;12-10-5-2-1-4-9(10)11(8-14)15-7-3-6-13;1-3(2)4;1-2-3;3*2-1-3;;;;;;/h6-10,12-15,17-18,26H,5,11,19-21H2,1-4H3;4-8,10-13,15-16,24H,9,17-19H2,1-3H3;8-9,11-12,14-15,19,23H,7,10,16-18H2,1-6H3;6-7,9-10,12-13,19H,5,8,14-15H2,1-4H3,(H,34,35);4-10H,11H2,1-3H3,(H,23,28);1-2,4-5,11,14H,3,7-8H2;3H,4H2,1-2H3;3H,2H2,1H3;;;;6*1H4/t26-;24-;23-;19-;;11-;;;;;;;;;;;/m0000.0.........../s1.

What are the key properties of benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine?

benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine has a molecular weight of 3446.72 g/mol, XLogP of 24.67, 55 rotatable bonds, 5 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[1-[(2R)-2-(2-bromophenyl)-2-(2-cyanoethoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;benzyl 2-methyl-2-[5-methyl-2,4-dioxo-6-(triazol-2-yl)-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;3-[(1R)-1-(2-bromophenyl)-2-hydroxyethoxy]propanenitrile;tris(carbon dioxide);2-[1-[(2R)-2-(2-cyanoethoxy)-2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;3-[(1R)-2-[3-(2,5-dimethyl-3-oxohexan-2-yl)-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-1-yl]-1-(2-ethylphenyl)ethoxy]propanenitrile;ethanol;methane;propan-2-amine is sourced from PubChem (CID 159440667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).